4ZX9
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Probable M17 family aminopeptidase | polymer | 522 | 57982.2 | 12 | UniProt (A0A024V0B1) Pfam (PF00883) | Plasmodium falciparum FcB1/Columbia | |
| 2 | BA, BB, DC, IA, M... (C, G, J, D, A...) | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide | non-polymer | 329.2 | 12 | Chemie (4TK) | |||
| 3 | CA, CB, DA, DB, EC... (C, G, J, D, A...) | ZINC ION | non-polymer | 65.4 | 24 | Chemie (ZN) | |||
| 4 | EA, EB, GC, LA, P... (C, G, J, D, A...) | CARBONATE ION | non-polymer | 60.0 | 12 | Chemie (CO3) | |||
| 5 | FB, HC, Q, XB, Y (G, J, A, I, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | AB, AC, GA, HA, HB... (F, I, C, G, J...) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 20 | Chemie (1PE) | |||
| 7 | AA, BC, CC, KB, KC... (B, I, G, J, D...) | SULFATE ION | non-polymer | 96.1 | 11 | Chemie (SO4) | |||
| 8 | FA, GB, IC, MA, YB (C, G, J, D, I) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 9 | AD, BD, CD, DD, ED... (D, E, F, G, H...) | water | water | 18.0 | 1305 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 82 - 603 (UniProt: A0A024V0B1)
| PDB | External Database | Details |
|---|---|---|
| Gln 152 | Asn 154 | engineered mutation |
| Gln 515 | Asn 517 | engineered mutation |
| Gln 546 | Asn 548 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 695786.8 | |
| Non-Polymers* | Number of molecules | 89 |
| Total formula weight | 12913.6 | |
| All* | Total formula weight | 708700.4 |
